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Density functional theory study of proton transfer in carbonic anhydrase

✍ Scribed by Lidong Zhang; Daiqian Xie

Book ID
111785236
Publisher
Springer
Year
2005
Tongue
English
Weight
456 KB
Volume
50
Category
Article
ISSN
1001-6538

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## Abstract We have investigated the possible proton transfer pathways from the surface of the protein to the zinc‐bound water molecule in the mutant His‐64–Ala of human carbonic anhydrase II. Starting with an input of known crystallographic structures of the mutant, we model the proton pathways as